CID 6992704

33996-30-4

Structural Information

Molecular Formula
C7H13NO3
SMILES
CCOC(=O)[C@@H]1C[C@H](CN1)O
InChI
InChI=1S/C7H13NO3/c1-2-11-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKey
JMHQESARJMGVCZ-RITPCOANSA-N
Compound name
ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

159.08954 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 134.9
[M+Na]+ 182.07876 141.0
[M-H]- 158.08226 134.1
[M+NH4]+ 177.12336 154.7
[M+K]+ 198.05270 139.7
[M+H-H2O]+ 142.08680 129.3
[M+HCOO]- 204.08774 153.4
[M+CH3COO]- 218.10339 170.0
[M+Na-2H]- 180.06421 136.9
[M]+ 159.08899 131.8
[M]- 159.09009 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe